277D
SUBSTITUTIONS AT C2' OF DAUNOSAMINE IN THE ANTICANCER DAUNORUBICIN ALTER ITS DNA-BINDING SEQUENCE SPECIFICITY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11-19 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.190, 28.190, 52.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.213 |
| RMSD bond length | 0.023 |
| Data reduction software | MSC |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 * | |
| High resolution limit [Å] | 1.800 * | 1.800 * |
| Rmerge | 0.069 | |
| Completeness [%] | 75.4 * | |
| Redundancy | 4.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | pH 6.00, VAPOR DIFFUSION, temperature 298.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | BACL2 | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 2 | WATER | ||
| 7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | single-stranded DNA hexamer | 1.2 (mM) | |
| 2 | 1 | drop | 4 (mM) | ||
| 3 | 1 | drop | sodium cacodylate | 35 (mM) | |
| 4 | 1 | drop | spermine | 2.5 (mM) | |
| 5 | 1 | drop | drug | 1.2 (mM) | |
| 6 | 1 | drop | MPD | 5 (%) | |
| 7 | 1 | reservoir | 40 (%) | ||
| 8 | 1 | drop | 8 (mM) | ||
| 9 | 1 | reservoir | 1 (%) |
